Found 1 result

Search term: YUCRZSXJDNYWCT-XMMPIXPASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(Benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-N~2~-methylglycinamide | C27H31N5O4S

N-(Benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-N2-methylglycinamide

  • Molecular FormulaC27H31N5O4S
  • Average mass521.631 Da
  • Monoisotopic mass521.209656 Da
  • ChemSpider ID59053087

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2r)-2-(Benzylsulfonylamino)-N-(2-((4-Carbamimidoylphenyl)methylamino)-2-Oxo-Ethyl)-N-Methyl-3-Phenyl-Propanamide
Glycinamide, N-[(phenylmethyl)sulfonyl]-D-phenylalanyl-N-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]-N2-methyl- [ACD/Index Name]
N-(Benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-N2-methylglycinamid [German] [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-N2-methylglycinamide [ACD/IUPAC Name]
N-(Benzylsulfonyl)-D-phénylalanyl-N-(4-carbamimidoylbenzyl)-N2-méthylglycinamide [French] [ACD/IUPAC Name]
6V2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.98
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.89
Polar Surface Area: 154 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 408.9±7.0 cm3

Click to predict properties on the Chemicalize site


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